I recently tried to compile an application (Quantum Espresso,
) to be used for parallel computations on
StarCluster. The installation procedure of the application consists of the
standard "./configure + make" steps. At the end of the output from
./configure, the statement "Parallel environment detected successfully.\
Configured for compilation of parallel executables." appears.
The compilation with "make" completes without errors. I then run the
application in the following way:
I first write a submit script (submit.sh) with the following content:
cp /path/to/executable/pw.x .
mpirun ./pw.x -in input.inp
I then submit the job to the queueing system with the following command
qsub -cwd -pe orte 16 ./submit.sh
However, in the output of the calculation, the following line is repeated
Parallel version (MPI), running on 1 processors
It therefore seems like the program runs 16 1 processor calculations that
all write to the same output.
I wrote about this problem to the mailing list of Quantum Espresso, and I
got the suggestion that perhaps the mpirun belonged to a different MPI
library than pw.x (a particular package of Quantum Espresso) was compiled
I compiled pw.x on the same cluster as I executed mpirun. Are there several
versions of openMPI on the AMIs provided by StarCluster? In that case, how
can I choose the correct one.
Perhaps the problem has a different cause. Does anyone have suggestions on
how to solve it?
Thanks in advance for your help.
Received on Thu Apr 17 2014 - 13:19:29 EDT